2,3-dimethyl-N-[2-methyl-3-(2-oxopyrrolidin-1-yl)propyl]-1H-indole-5-carboxamide

C19H25N3O2 — CID 71936714

IUPAC2,3-dimethyl-N-[2-methyl-3-(2-oxopyrrolidin-1-yl)propyl]-1H-indole-5-carboxamide
SMILESCc1[nH]c2ccc(C(=O)NCC(C)CN3CCCC3=O)cc2c1C
InChIInChI=1S/C19H25N3O2/c1-12(11-22-8-4-5-18(22)23)10-20-19(24)15-6-7-17-16(9-15)13(2)14(3)21-17/h6-7,9,12,21H,4-5,8,10-11H2,1-3H3,(H,20,24)
InChIKeyVBKZVOVBJAJQNR-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.77
Rot. Bonds5

About 2,3-dimethyl-N-[2-methyl-3-(2-oxopyrrolidin-1-yl)propyl]-1H-indole-5-carboxamide

2,3-dimethyl-N-[2-methyl-3-(2-oxopyrrolidin-1-yl)propyl]-1H-indole-5-carboxamide (PubChem CID 71936714) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 2,3-dimethyl-N-[2-methyl-3-(2-oxopyrrolidin-1-yl)propyl]-1H-indole-5-carboxamide.

Molecular Properties

Compound Name2,3-dimethyl-N-[2-methyl-3-(2-oxopyrrolidin-1-yl)propyl]-1H-indole-5-carboxamide
PubChem CID71936714
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name2,3-dimethyl-N-[2-methyl-3-(2-oxopyrrolidin-1-yl)propyl]-1H-indole-5-carboxamide
SMILESCc1[nH]c2ccc(C(=O)NCC(C)CN3CCCC3=O)cc2c1C
InChIInChI=1S/C19H25N3O2/c1-12(11-22-8-4-5-18(22)23)10-20-19(24)15-6-7-17-16(9-15)13(2)14(3)21-17/h6-7,9,12,21H,4-5,8,10-11H2,1-3H3,(H,20,24)
InChIKeyVBKZVOVBJAJQNR-UHFFFAOYSA-N
XLogP2.77
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

2,3-dimethyl-N-(4-methyl-2-morpholin-4-ylpentyl)-1H-indole-5-carboxamide
CID 46540916
2,3-dimethyl-N-(1-methylcyclobutyl)-1H-indole-5-carboxamide
CID 115766234
N-(2-amino-2-methylpropyl)-2,3-dimethyl-1H-indole-5-carboxamide
CID 115303315
N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2,3-dimethyl-1H-indole-5-carboxamide
CID 9451091
N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2,3-dimethyl-1H-indole-5-carboxamide
CID 9451089
N-(2-cyclopentylethyl)-2,3-dimethyl-1H-indole-5-carboxamide
CID 60732092
N-[(2S)-2-cyclohexyl-2-(dimethylamino)ethyl]-2,3-dimethyl-1H-indole-5-carboxamide
CID 95761685
2,3-dimethyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1H-indole-5-carboxamide
CID 26447126
N-(2-methyl-3-pyrrolidin-1-ylpropyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 87025907
4-[(2,3-dimethyl-1H-indole-5-carbonyl)amino]-2-methylbutanoic acid
CID 80537291
N-(cyclohexylmethyl)-2,3-dimethyl-1H-indole-5-carboxamide
CID 43002218
N-(3-hydroxy-4-methylpentyl)-2,3-dimethyl-1H-indole-5-carboxamide
CID 111461060

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-[2-methyl-3-(2-oxopyrrolidin-1-yl)propyl]-1H-indole-5-carboxamide?
The IUPAC name of 2,3-dimethyl-N-[2-methyl-3-(2-oxopyrrolidin-1-yl)propyl]-1H-indole-5-carboxamide (CID 71936714) is 2,3-dimethyl-N-[2-methyl-3-(2-oxopyrrolidin-1-yl)propyl]-1H-indole-5-carboxamide.
What is the SMILES notation for 2,3-dimethyl-N-[2-methyl-3-(2-oxopyrrolidin-1-yl)propyl]-1H-indole-5-carboxamide?
The canonical SMILES for 2,3-dimethyl-N-[2-methyl-3-(2-oxopyrrolidin-1-yl)propyl]-1H-indole-5-carboxamide is Cc1[nH]c2ccc(C(=O)NCC(C)CN3CCCC3=O)cc2c1C.
What is the InChIKey of 2,3-dimethyl-N-[2-methyl-3-(2-oxopyrrolidin-1-yl)propyl]-1H-indole-5-carboxamide?
The InChIKey is VBKZVOVBJAJQNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-12(11-22-8-4-5-18(22)23)10-20-19(24)15-6-7-17-16(9-15)13(2)14(3)21-17/h6-7,9,12,21H,4-5,8,10-11H2,1-3H3,(H,20,24).
What are the key properties of 2,3-dimethyl-N-[2-methyl-3-(2-oxopyrrolidin-1-yl)propyl]-1H-indole-5-carboxamide?
2,3-dimethyl-N-[2-methyl-3-(2-oxopyrrolidin-1-yl)propyl]-1H-indole-5-carboxamide has a molecular weight of 327.43 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-[2-methyl-3-(2-oxopyrrolidin-1-yl)propyl]-1H-indole-5-carboxamide is sourced from PubChem (CID 71936714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).